SCHEMBL4481544

SCHEMBL4481544

CCN(CC)CCN(C)C(=O)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3C)c(Oc3ccc(C(=O)NC4CCCC4)cc3OC)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
TNK2 Q07912 1/20 0.46
TTK P33981 2/20 0.44
PTK2 Q05397 9/20 0.42
ITK Q08881 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
IGF1R P08069 2/20 0.40
BRD4 O60885 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4499131 0.93 LCK (0.44) LCKJAK3BTKTNK2TTK
SCHEMBL4484530 0.92 LCK (0.43) LCKJAK3BTKTNK2TTK
SCHEMBL4502146 0.91 LCK (0.47) LCKJAK3BTKTNK2PDE4A
SCHEMBL5686291 0.90 LCK (0.46) LCKJAK3BTKTNK2TTK
SCHEMBL4499766 0.90 LCK (0.46) LCKJAK3BTKTNK2PTK2
SCHEMBL4494883 0.89 LCK (0.48) LCKJAK3BTKTNK2
SCHEMBL4483160 0.89 LCK (0.49) LCKJAK3BTKTNK2TTK
SCHEMBL4501181 0.88 LCK (0.55) LCKJAK3BTKTNK2ITK
SCHEMBL4495907 0.87 LCK (0.47) LCKJAK3BTKTNK2
SCHEMBL4488109 0.85 LCK (0.47) LCKJAK3BTKTNK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 LCK 33/4885JAK3 900/4885BTK 1420/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.